4-tert-butyl-N-[4-chloro-2-[4-(2-hydroxypropan-2-yl)pyrazol-1-yl]phenyl]benzenesulfonamide

C22H26ClN3O3S — CID 25134399

IUPAC4-tert-butyl-N-[4-chloro-2-[4-(2-hydroxypropan-2-yl)pyrazol-1-yl]phenyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-n2cc(C(C)(C)O)cn2)cc1
InChIInChI=1S/C22H26ClN3O3S/c1-21(2,3)15-6-9-18(10-7-15)30(28,29)25-19-11-8-17(23)12-20(19)26-14-16(13-24-26)22(4,5)27/h6-14,25,27H,1-5H3
InChIKeyRQTPFEVJQPRYKE-UHFFFAOYSA-N
MW447.99 g/mol
LogP4.85
Rot. Bonds5

About 4-tert-butyl-N-[4-chloro-2-[4-(2-hydroxypropan-2-yl)pyrazol-1-yl]phenyl]benzenesulfonamide

4-tert-butyl-N-[4-chloro-2-[4-(2-hydroxypropan-2-yl)pyrazol-1-yl]phenyl]benzenesulfonamide (PubChem CID 25134399) has the molecular formula C22H26ClN3O3S and a molecular weight of 447.99 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-chloro-2-[4-(2-hydroxypropan-2-yl)pyrazol-1-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-chloro-2-[4-(2-hydroxypropan-2-yl)pyrazol-1-yl]phenyl]benzenesulfonamide
PubChem CID25134399
Molecular FormulaC22H26ClN3O3S
Molecular Weight447.99 g/mol
Exact Mass447.14
IUPAC Name4-tert-butyl-N-[4-chloro-2-[4-(2-hydroxypropan-2-yl)pyrazol-1-yl]phenyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-n2cc(C(C)(C)O)cn2)cc1
InChIInChI=1S/C22H26ClN3O3S/c1-21(2,3)15-6-9-18(10-7-15)30(28,29)25-19-11-8-17(23)12-20(19)26-14-16(13-24-26)22(4,5)27/h6-14,25,27H,1-5H3
InChIKeyRQTPFEVJQPRYKE-UHFFFAOYSA-N
XLogP4.85
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.99
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-tert-butyl-N-[4-chloro-2-[4-(2-hydroxypropan-2-yl)pyrazol-1-yl]phenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-chloro-2-[4-(2-hydroxypropan-2-yl)pyrazol-1-yl]phenyl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[4-chloro-2-[4-(2-hydroxypropan-2-yl)pyrazol-1-yl]phenyl]benzenesulfonamide (CID 25134399) is 4-tert-butyl-N-[4-chloro-2-[4-(2-hydroxypropan-2-yl)pyrazol-1-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[4-chloro-2-[4-(2-hydroxypropan-2-yl)pyrazol-1-yl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[4-chloro-2-[4-(2-hydroxypropan-2-yl)pyrazol-1-yl]phenyl]benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-n2cc(C(C)(C)O)cn2)cc1.
What is the InChIKey of 4-tert-butyl-N-[4-chloro-2-[4-(2-hydroxypropan-2-yl)pyrazol-1-yl]phenyl]benzenesulfonamide?
The InChIKey is RQTPFEVJQPRYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O3S/c1-21(2,3)15-6-9-18(10-7-15)30(28,29)25-19-11-8-17(23)12-20(19)26-14-16(13-24-26)22(4,5)27/h6-14,25,27H,1-5H3.
What are the key properties of 4-tert-butyl-N-[4-chloro-2-[4-(2-hydroxypropan-2-yl)pyrazol-1-yl]phenyl]benzenesulfonamide?
4-tert-butyl-N-[4-chloro-2-[4-(2-hydroxypropan-2-yl)pyrazol-1-yl]phenyl]benzenesulfonamide has a molecular weight of 447.99 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[4-chloro-2-[4-(2-hydroxypropan-2-yl)pyrazol-1-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 25134399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).